3-fluoro-3,4,4-trimethyl-5-(methylamino)hexan-2-one

C10H20FNO — CID 166963871

IUPAC3-fluoro-3,4,4-trimethyl-5-(methylamino)hexan-2-one
SMILESCNC(C)C(C)(C)C(C)(F)C(C)=O
InChIInChI=1S/C10H20FNO/c1-7(12-6)9(3,4)10(5,11)8(2)13/h7,12H,1-6H3
InChIKeyHNBFHEITFZJESW-UHFFFAOYSA-N
MW189.27 g/mol
LogP1.94
Rot. Bonds4

About 3-fluoro-3,4,4-trimethyl-5-(methylamino)hexan-2-one

3-fluoro-3,4,4-trimethyl-5-(methylamino)hexan-2-one (PubChem CID 166963871) has the molecular formula C10H20FNO and a molecular weight of 189.27 g/mol. Its IUPAC name is 3-fluoro-3,4,4-trimethyl-5-(methylamino)hexan-2-one.

Molecular Properties

Compound Name3-fluoro-3,4,4-trimethyl-5-(methylamino)hexan-2-one
PubChem CID166963871
Molecular FormulaC10H20FNO
Molecular Weight189.27 g/mol
Exact Mass189.15
IUPAC Name3-fluoro-3,4,4-trimethyl-5-(methylamino)hexan-2-one
SMILESCNC(C)C(C)(C)C(C)(F)C(C)=O
InChIInChI=1S/C10H20FNO/c1-7(12-6)9(3,4)10(5,11)8(2)13/h7,12H,1-6H3
InChIKeyHNBFHEITFZJESW-UHFFFAOYSA-N
XLogP1.94
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.27
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-fluoro-3,4,4-trimethyl-5-(methylamino)hexan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3,4,4-trimethyl-5-(methylamino)hexan-2-one?
The IUPAC name of 3-fluoro-3,4,4-trimethyl-5-(methylamino)hexan-2-one (CID 166963871) is 3-fluoro-3,4,4-trimethyl-5-(methylamino)hexan-2-one.
What is the SMILES notation for 3-fluoro-3,4,4-trimethyl-5-(methylamino)hexan-2-one?
The canonical SMILES for 3-fluoro-3,4,4-trimethyl-5-(methylamino)hexan-2-one is CNC(C)C(C)(C)C(C)(F)C(C)=O.
What is the InChIKey of 3-fluoro-3,4,4-trimethyl-5-(methylamino)hexan-2-one?
The InChIKey is HNBFHEITFZJESW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20FNO/c1-7(12-6)9(3,4)10(5,11)8(2)13/h7,12H,1-6H3.
What are the key properties of 3-fluoro-3,4,4-trimethyl-5-(methylamino)hexan-2-one?
3-fluoro-3,4,4-trimethyl-5-(methylamino)hexan-2-one has a molecular weight of 189.27 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3,4,4-trimethyl-5-(methylamino)hexan-2-one is sourced from PubChem (CID 166963871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).